| Properties | Image |
|---|
| MNX_ID | MNXM342538 |
 |
| reference | slm:000492086 |
| formula | C47H79O16P2 |
| global charge | -3 |
| mol weight | 962.081 |
| InChIKey | KTFLVFYAZJADAM-FPFHEZHBSA-K |
| InChI | InChI=1S/C47H82O16P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-41(49)61-40(37-59-39(2)48)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h7-8,10-11,13-14,16-17,19-20,40,42-47,50-53H,3-6,9,12,15,18,21-38H2,1-2H3,(H,57,58)(H2,54,55,56)/p-3/b8-7-,11-10-,14-13-,17-16-,20-19-/t40-,42-,43-,44-,45-,46+,47-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(C)=O)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C47H82O16P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-41(49)61-40(37-59-39(2)48)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h7-8,10-11,13-14,16-17,19-20,40,42-47,50-53H,3-6,9,12,15,18,21-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b8-7-,11-10-,14-13-,17-16-,20-19-/t40-,42-,43-,44-,45-,46+,47-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6]/[CH:7]=[CH:8]\[CH2:9]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][C:41](=[O:49])[O:61][C@H:40]([CH2:37][O:59][C:39]([CH3:2])=[O:48])[CH2:38][O:60][P:65]([OH:57])(=[O:58])[O:63][C@@H:47]1[C@H:44]([OH:52])[C@H:42]([OH:50])[C@@H:43]([OH:51])[C@H:46]([O:62][P:64]([OH:54])([OH:55])=[O:56])[C@H:45]1[OH:53] |
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